CID 198304

Brn 0833568

Structural Information

Molecular Formula

C₁₄H₁₇N₂O₄PS

SMILES

CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C14H17N2O4PS/c1-3-17-21(22,18-4-2)20-14-11-10-13(15-16-14)19-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3

InChIKey

YSNYOIFPPZYKGH-UHFFFAOYSA-N

Compound name

diethoxy-(6-phenoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.06467 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.071946	174.6
[M+Na]+	363.053888	181.4
[M-H]-	339.057394	177.4
[M+NH4]+	358.098493	186.0
[M+K]+	379.027828	178.5
[M+H-H2O]+	323.061930	162.8
[M+HCOO]-	385.062871	196.1
[M+CH3COO]-	399.078521	206.9
[M+Na-2H]-	361.039336	176.3
[M]+	340.06412142	182.0
[M]-	340.06521858	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.